Cyclohexanone, 2,2-diallyl-
TL;DR: Cyclohexanone, 2,2-diallyl- (CAS 5277-36-1) is a chemical compound with molecular formula C12H18O and molecular weight 178.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-bis(prop-2-enyl)cyclohexan-1-one
Also Known As: 2,2-Diallylcyclohexanone, Cyclohexanone, 2,2-diallyl-, 2,2-Dwuallilocykloheksanon, 2,2-diallyl-cyclohexan-1-one, 2,2-Dwuallilocykloheksanon [Polish]
| Molecular Formula | C12H18O |
|---|---|
| Molecular Weight | 178.14 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 178.13577 |
| Heavy Atoms | 13 |
| Complexity | 205.0 |
Chemical Identifiers
| CAS Number | 5277-36-1 |
|---|---|
| SMILES | C=CCC1(CCCCC1=O)CC=C |
| InChIKey | QFSGLPBMYINTJA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Cyclohexanone, 2,2-diallyl- (CAS 5277-36-1), with molecular formula C12H18O and molecular weight 178.14 g/mol. IUPAC: 2,2-bis(prop-2-enyl)cyclohexan-1-one.
Chemical Property Profile of Cyclohexanone, 2,2-diallyl-
Property Insights of Cyclohexanone, 2,2-diallyl-
The XLogP value of 3.0 indicates that Cyclohexanone, 2,2-diallyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, Cyclohexanone, 2,2-diallyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cyclohexanone, 2,2-diallyl- has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Cyclohexanone, 2,2-diallyl-?
The CAS number of Cyclohexanone, 2,2-diallyl- is 5277-36-1.
What is the molecular formula of Cyclohexanone, 2,2-diallyl-?
The molecular formula of Cyclohexanone, 2,2-diallyl- is C12H18O.
What is the molecular weight of Cyclohexanone, 2,2-diallyl-?
The molecular weight of Cyclohexanone, 2,2-diallyl- is 178.14 g/mol.
Where can I buy Cyclohexanone, 2,2-diallyl-?
You can request a quote for Cyclohexanone, 2,2-diallyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cyclohexanone, 2,2-diallyl-?
Yes, KEHONG BIO provides custom synthesis services for Cyclohexanone, 2,2-diallyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.